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[3,5-Bis(Trifluoromethyl)Phenyl]Hydrazine
CAS: 886-35-1 | C8H6F6N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
886-35-1
Molecular Formula:
C8H6F6N2
Molecular Mass:
244.14 g/mol
Names and Synonyms:
[3,5-Bis(Trifluoromethyl)Phenyl]Hydrazine
Hydrazine, [3,5-bis(trifluoromethyl)phenyl]-
Hydrazine, (α,α,α,α′,α′,α′-hexafluoro-3,5-xylyl)-
[3,5-Bis(trifluoromethyl)phenyl]hydrazine
3,5-Bis(trifluoromethyl)phenyl hydrazine
Identifiers:
SMILES:
NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI:
InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2
Key Properties
Melting Point
81-83 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.14 g/mol | CAS Common Chemistry |
| 244.13799999999998 g/mol | RDKit | |
| 244.043517512 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)NN | CAS Common Chemistry |
| InChI | InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OULWACKZBGBRNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81-83 °C | CAS Common Chemistry |
| Name | [3,5-Bis(trifluoromethyl)phenyl]hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 3.0098000000000003 | RDKit |
| Molar Refractivity | 44.256099999999996 | RDKit |
